(Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol

C15H28O3 — CID 162623590

IUPAC(Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol
SMILESC/C(=C/CC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C)CO
InChIInChI=1S/C15H28O3/c1-11(10-16)6-5-8-15(4,18)13-7-9-14(3,17)12(13)2/h6,12-13,16-18H,5,7-10H2,1-4H3/b11-6-/t12-,13+,14+,15+/m0/s1
InChIKeyQGUPPGVBDCWDSK-KBCVJJEVSA-N
MW256.39 g/mol
LogP2.25
Rot. Bonds5

About (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol

(Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol (PubChem CID 162623590) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol.

Molecular Properties

Compound Name(Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol
PubChem CID162623590
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol
SMILESC/C(=C/CC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C)CO
InChIInChI=1S/C15H28O3/c1-11(10-16)6-5-8-15(4,18)13-7-9-14(3,17)12(13)2/h6,12-13,16-18H,5,7-10H2,1-4H3/b11-6-/t12-,13+,14+,15+/m0/s1
InChIKeyQGUPPGVBDCWDSK-KBCVJJEVSA-N
XLogP2.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol with MolForge

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Related Compounds

(5S,6S,8R,9R,10R,13S,14S,17S)-17-[(2S)-2,7-dihydroxy-6-methylhept-5-en-2-yl]-6-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 91613138
(2R,3R,4R,5S,6S)-2-[(2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 51694025
2-(3a,6-dimethyl-2,3,4,7,8,8a-hexahydro-1H-azulen-1-yl)-6-methylhept-5-en-2-ol
CID 14193944
(E,6S)-2,6-dimethyloct-2-en-7-yne-1,6-diol
CID 92840164
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
CID 15599953
17-(2-hydroxy-6-methylhept-5-en-2-yl)-3,4,4,8,10,14-hexamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-12-ol
CID 20739500
(1R,2R,3R)-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-ol
CID 11146214
(1S,3S,3aS,5R,8R,8aS)-5-(1,2-dihydroxypropan-2-yl)-3,8-dimethyl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene-1,8-diol
CID 139584522
(3E)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhepta-3,6-diene-1,2-diol
CID 163051135
(2E,6E)-2,6,10-trimethyldodeca-2,6,11-triene-1,10-diol
CID 57418031
2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3-(2-hydroxypropan-2-yl)-1-methylcyclopentan-1-ol;molecular iodine
CID 159616413
(4aS,5R,6R,8aS)-6-hydroxy-5-[(3E,7E,11E)-13-hydroxy-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,1,4a,6-tetramethyl-3,4,5,7,8,8a-hexahydronaphthalen-2-one
CID 102242791

Frequently Asked Questions

What is the IUPAC name of (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol?
The IUPAC name of (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol (CID 162623590) is (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol.
What is the SMILES notation for (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol?
The canonical SMILES for (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol is C/C(=C/CC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C)CO.
What is the InChIKey of (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol?
The InChIKey is QGUPPGVBDCWDSK-KBCVJJEVSA-N. The full InChI is InChI=1S/C15H28O3/c1-11(10-16)6-5-8-15(4,18)13-7-9-14(3,17)12(13)2/h6,12-13,16-18H,5,7-10H2,1-4H3/b11-6-/t12-,13+,14+,15+/m0/s1.
What are the key properties of (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol?
(Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol has a molecular weight of 256.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylhept-2-ene-1,6-diol is sourced from PubChem (CID 162623590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).